4-[[5-[4-(2-hydroxy-2-phenylethyl)piperazine-1-carbonyl]furan-2-yl]methoxy]benzonitrile

C25H25N3O4 — CID 86905262

IUPAC4-[[5-[4-(2-hydroxy-2-phenylethyl)piperazine-1-carbonyl]furan-2-yl]methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2ccc(C(=O)N3CCN(CC(O)c4ccccc4)CC3)o2)cc1
InChIInChI=1S/C25H25N3O4/c26-16-19-6-8-21(9-7-19)31-18-22-10-11-24(32-22)25(30)28-14-12-27(13-15-28)17-23(29)20-4-2-1-3-5-20/h1-11,23,29H,12-15,17-18H2
InChIKeyAJFUGUVYOXRMEG-UHFFFAOYSA-N
MW431.49 g/mol
LogP3.22
Rot. Bonds7

About 4-[[5-[4-(2-hydroxy-2-phenylethyl)piperazine-1-carbonyl]furan-2-yl]methoxy]benzonitrile

4-[[5-[4-(2-hydroxy-2-phenylethyl)piperazine-1-carbonyl]furan-2-yl]methoxy]benzonitrile (PubChem CID 86905262) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 4-[[5-[4-(2-hydroxy-2-phenylethyl)piperazine-1-carbonyl]furan-2-yl]methoxy]benzonitrile.

Molecular Properties

Compound Name4-[[5-[4-(2-hydroxy-2-phenylethyl)piperazine-1-carbonyl]furan-2-yl]methoxy]benzonitrile
PubChem CID86905262
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name4-[[5-[4-(2-hydroxy-2-phenylethyl)piperazine-1-carbonyl]furan-2-yl]methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2ccc(C(=O)N3CCN(CC(O)c4ccccc4)CC3)o2)cc1
InChIInChI=1S/C25H25N3O4/c26-16-19-6-8-21(9-7-19)31-18-22-10-11-24(32-22)25(30)28-14-12-27(13-15-28)17-23(29)20-4-2-1-3-5-20/h1-11,23,29H,12-15,17-18H2
InChIKeyAJFUGUVYOXRMEG-UHFFFAOYSA-N
XLogP3.22
TPSA89.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[5-[4-(2-hydroxy-2-phenylethyl)piperazine-1-carbonyl]furan-2-yl]methoxy]benzonitrile with MolForge

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Related Compounds

4-[[5-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]furan-2-yl]methoxy]benzonitrile
CID 86886879
4-[4-[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 55839912
4-[4-[5-[(3-bromophenoxy)methyl]furan-2-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 55839784
5-[(4-cyanophenoxy)methyl]furan-2-carboxylate
CID 4290764
tert-butyl 4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate
CID 46513396
[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 78882516
5-[(4-cyanophenoxy)methyl]-N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]furan-2-carboxamide
CID 86886728
[5-[(4-bromophenoxy)methyl]furan-2-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325645
[5-[(4-bromophenoxy)methyl]furan-2-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19294871
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[5-[(4-nitrophenoxy)methyl]furan-2-yl]methanone
CID 19325635
2-[[5-(azepane-1-carbonyl)furan-2-yl]methoxy]benzonitrile
CID 47051145
[5-[(4-bromophenoxy)methyl]furan-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325456

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[4-(2-hydroxy-2-phenylethyl)piperazine-1-carbonyl]furan-2-yl]methoxy]benzonitrile?
The IUPAC name of 4-[[5-[4-(2-hydroxy-2-phenylethyl)piperazine-1-carbonyl]furan-2-yl]methoxy]benzonitrile (CID 86905262) is 4-[[5-[4-(2-hydroxy-2-phenylethyl)piperazine-1-carbonyl]furan-2-yl]methoxy]benzonitrile.
What is the SMILES notation for 4-[[5-[4-(2-hydroxy-2-phenylethyl)piperazine-1-carbonyl]furan-2-yl]methoxy]benzonitrile?
The canonical SMILES for 4-[[5-[4-(2-hydroxy-2-phenylethyl)piperazine-1-carbonyl]furan-2-yl]methoxy]benzonitrile is N#Cc1ccc(OCc2ccc(C(=O)N3CCN(CC(O)c4ccccc4)CC3)o2)cc1.
What is the InChIKey of 4-[[5-[4-(2-hydroxy-2-phenylethyl)piperazine-1-carbonyl]furan-2-yl]methoxy]benzonitrile?
The InChIKey is AJFUGUVYOXRMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c26-16-19-6-8-21(9-7-19)31-18-22-10-11-24(32-22)25(30)28-14-12-27(13-15-28)17-23(29)20-4-2-1-3-5-20/h1-11,23,29H,12-15,17-18H2.
What are the key properties of 4-[[5-[4-(2-hydroxy-2-phenylethyl)piperazine-1-carbonyl]furan-2-yl]methoxy]benzonitrile?
4-[[5-[4-(2-hydroxy-2-phenylethyl)piperazine-1-carbonyl]furan-2-yl]methoxy]benzonitrile has a molecular weight of 431.49 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[4-(2-hydroxy-2-phenylethyl)piperazine-1-carbonyl]furan-2-yl]methoxy]benzonitrile is sourced from PubChem (CID 86905262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).